- InChI
- InChI=1S/C27H44O4/c1-4-5-6-7-10-13-16-22-30-26(28)20-14-11-8-9-12-15-21-27(29)31-25-19-17-18-23(2)24(25)3/h17-19H,4-16,20-22H2,1-3H3
- InChI Key
- FNIHVJFIEBXMIW-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc
1cccc(C)c1C - Molecular Weight1
- 432.64
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.2253 | Relay (1.0) Calculated Property | |
| ΔfG° | -198.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -997.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.623 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 856.47 | kPa | Joback Calculated Property |
| Inp | 3252.00 | NIST | |
| Tboil | 680.81 | K | Relay (1.0) Calculated Property |
| Tc | 888.06 | K | Relay (1.0) Calculated Property |
| Tfus | 323.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1305.87; 1387.94] | J/mol×K | [1006.38; 1234.43] | 
|
| Cp,gas | 1305.87 | J/mol×K | 1006.38 | Joback Calculated Property |
| Cp,gas | 1323.61 | J/mol×K | 1044.39 | Joback Calculated Property |
| Cp,gas | 1339.66 | J/mol×K | 1082.40 | Joback Calculated Property |
| Cp,gas | 1354.07 | J/mol×K | 1120.40 | Joback Calculated Property |
| Cp,gas | 1366.88 | J/mol×K | 1158.41 | Joback Calculated Property |
| Cp,gas | 1378.16 | J/mol×K | 1196.42 | Joback Calculated Property |
| Cp,gas | 1387.94 | J/mol×K | 1234.43 | Joback Calculated Property |
| η | [0.0000201; 0.0002371] | Pa×s | [589.83; 1006.38] |
|
| η | 0.0002371 | Pa×s | 589.83 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 659.25 | Joback Calculated Property |
| η | 0.0000760 | Pa×s | 728.68 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 798.10 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 867.53 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 936.95 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 1006.38 | Joback Calculated Property |
Similar Compounds
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Sources
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